Projects
Dynamics
- A2: Dynamically consistent coarse-grained models
- A3: Coarse-graining frequency-dependent phenomena and memory in colloidal systems
- A4: Understanding Water Relaxation Dynamics at Interfaces
- A5 (E): Heat transfer in polymer nanocomposites
- A6: Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids
- A7: Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
- A8 (N): Roberto - Improved dynamics in self-consistent field molecular dynamics simulations of polymers
- A9 (N): Coarse grained nonequilibrium dynamics of active soft matter
Particle based coarse-graining and mixed resolution schemes
- B1: Inverse problems in coarse-grained particle simulations
- B2: Many-body effects and optimized mapping schemes for systematic coarse-graining
- B3: Coarse-graining of solvent effects in force-probe molecular dynamics simulations
- B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
- B5 (N): Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
- B6 (N): Topological validation of coarse-grained polymer models
- B7 (N): Machine learning for multiscale simulations
Bridging the particle-continuum gap
- C1: Using molecular fields to bridge between particle and continuum representations of macromolecular systems
- C3: Spinodal decomposition of polymer-solvent systems
- C4 (E): Nonlocal electrostatics of biomolecular systems
- C5: Adaptive hybrid multiscale simulations of soft matter fluids
- C6 (E): Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
- C7 (N): Dense active suspensions in the chaotic regime
- C8 (N): Numerical approximation of high-dimensional Fokker-Planck equations
Central service project G
- G: Central soft matter simulation platform
Integrated Research Training
- MGK: Integrated Research Training Group
Contact
- Scientific Coordinator of the TRR 146
- Dr. Giovanni Settanni
- Staudingerweg 9
- D-55128 Mainz
- trr146wCs@NgroxlGuni-mainz.de